Geometry & MOs

Info

ID:	372222
PubChem CID:	131294431
Reduced:	SO4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	224.025563
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	7.33
IP(EA), eV:	-9.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-methyl-1,2-thiazol-3-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CC2=CC(=C(S2)C(=O)O)O

DOS

IR

Vibrations